NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[1-(2-methanesulfonylethyl)-1H-1,2,3-triazol-4-yl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
|
|
|
IUPAC Traditional name
|
2-[1-(2-methanesulfonylethyl)-1,2,3-triazol-4-yl]-1-(prop-2-en-1-yl)-1,3-benzodiazole
|
|
|
Synonyms
|
1-allyl-2-{1-[2-(methylsulfonyl)ethyl]-1H-1,2,3-triazol-4-yl}-1H-benzimidazole
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
5
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.3465456
|
LogD (pH = 7.4)
|
1.3516616
|
Log P
|
1.3517272
|
Molar Refractivity
|
109.0853 cm3
|
Polarizability
|
35.838917 Å3
|
Polar Surface Area
|
82.67 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
0
|
Log P
|
1.24
|
LOG S
|
-2.68
|
Polar Surface Area
|
82.67 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent